Molecule ID: mol19455

SMILES: CCOc1cc(CN2CCC(NC(=O)c3ccc(Cl)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1

InChI: InChI=1S/C28H31ClFN3O3/c1-3-35-24-15-19(16-25(36-4-2)27(24)20-5-8-22(30)9-6-20)18-33-13-11-23(12-14-33)32-28(34)21-7-10-26(29)31-17-21/h5-10,15-17,23H,3-4,11-14,18H2,1-2H3,(H,32,34)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.80 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization